N-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide

C18H28N4O — CID 118422472

IUPACN-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NCC1CC1)C1=CC=CC(N2CCC3CCCC(C2)N3)N1
InChIInChI=1S/C18H28N4O/c23-18(19-11-13-7-8-13)16-5-2-6-17(21-16)22-10-9-14-3-1-4-15(12-22)20-14/h2,5-6,13-15,17,20-21H,1,3-4,7-12H2,(H,19,23)
InChIKeyBWSURLJWTLEUQG-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.10
Rot. Bonds4

About N-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide

N-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide (PubChem CID 118422472) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide
PubChem CID118422472
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NCC1CC1)C1=CC=CC(N2CCC3CCCC(C2)N3)N1
InChIInChI=1S/C18H28N4O/c23-18(19-11-13-7-8-13)16-5-2-6-17(21-16)22-10-9-14-3-1-4-15(12-22)20-14/h2,5-6,13-15,17,20-21H,1,3-4,7-12H2,(H,19,23)
InChIKeyBWSURLJWTLEUQG-UHFFFAOYSA-N
XLogP1.10
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide (CID 118422472) is N-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide is O=C(NCC1CC1)C1=CC=CC(N2CCC3CCCC(C2)N3)N1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide?
The InChIKey is BWSURLJWTLEUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c23-18(19-11-13-7-8-13)16-5-2-6-17(21-16)22-10-9-14-3-1-4-15(12-22)20-14/h2,5-6,13-15,17,20-21H,1,3-4,7-12H2,(H,19,23).
What are the key properties of N-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide?
N-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(3,10-diazabicyclo[4.3.1]decan-3-yl)-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 118422472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).